Dichloromethane → Benzo[1,3]dioxole-5-carboxylic acid (4-{3-[2-(3-trifluoromethyl-benzoylamino)-acetylamino]-azetidin-1-yl}-cyclohexyl)-amide

HRID 119434

반응식

HRID 119434 반응식
[Cl:48][CH2:49][Cl:50].[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47].[NH2:13][CH:14]1[CH2:15][CH2:16][CH:17]([N:20]2[CH2:21][CH:22]([NH:24][C:25](=[O:26])[CH2:27][NH:28][C:29]([c:30]3[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]3)=[O:40])[CH2:23]2)[CH2:18][CH2:19]1.[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10](=[O:11])[Cl:12])[cH:9]2>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10](=[O:11])[NH:13][CH:14]1[CH2:15][CH2:16][CH:17]([N:20]3[CH2:21][CH:22]([NH:24][C:25](=[O:26])[CH2:27][NH:28][C:29]([c:30]4[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]4)=[O:40])[CH2:23]3)[CH2:18][CH2:19]1)[cH:9]2

참가 물질

5

반응물 4

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 27347491,3-Benzodioxole-5-carbonyl chlorideHCID 59541166N-[2-[[1-(4-aminocyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

생성물 1

HCID 49763337Benzo[1,3]dioxole-5-carboxylic acid (4-{3-[2-(3-trifluoromethyl-benzoylamino)-acetylamino]-azetidin-1-yl}-cyclohexyl)-amide

출처 및 근거

ORD 기록
ord-65a0afa5201840859ed55dd5aa51d923
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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